General Information of the Compound
Compound ID |
CP0443742
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Compound Name |
N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylindol-5-yl]acetamide
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Structure |
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Formula |
C21H19N7O
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Molecular Weight |
385.431
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Canonical SMILES |
CC(=O)Nc1ccc2n(C)cc(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
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InChI |
InChI=1S/C21H19N7O/c1-12(29)24-15-5-6-19-16(7-15)17(11-27(19)2)18-8-20(25-14-3-4-14)28-21(26-18)13(9-22)10-23-28/h5-8,10-11,14,25H,3-4H2,1-2H3,(H,24,29)
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InChIKey |
QRFPAAIZIPRHSO-UHFFFAOYSA-N
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Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound